2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

C43H36N8O2 — CID 6313295

IUPAC2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILESC(=N\Nc1nc(N/N=C\c2cccc(OCc3ccccc3)c2)nc(N(c2ccccc2)c2ccccc2)n1)\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C43H36N8O2/c1-5-15-33(16-6-1)31-52-39-25-13-19-35(27-39)29-44-49-41-46-42(48-43(47-41)51(37-21-9-3-10-22-37)38-23-11-4-12-24-38)50-45-30-36-20-14-26-40(28-36)53-32-34-17-7-2-8-18-34/h1-30H,31-32H2,(H2,46,47,48,49,50)/b44-29-,45-30-
InChIKeyHYRNWYYSOKLOSB-QSFOISPVSA-N
MW696.82 g/mol
LogP9.39
Rot. Bonds15

About 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine (PubChem CID 6313295) has the molecular formula C43H36N8O2 and a molecular weight of 696.82 g/mol. Its IUPAC name is 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
PubChem CID6313295
Molecular FormulaC43H36N8O2
Molecular Weight696.82 g/mol
Exact Mass696.30
IUPAC Name2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
SMILESC(=N\Nc1nc(N/N=C\c2cccc(OCc3ccccc3)c2)nc(N(c2ccccc2)c2ccccc2)n1)\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C43H36N8O2/c1-5-15-33(16-6-1)31-52-39-25-13-19-35(27-39)29-44-49-41-46-42(48-43(47-41)51(37-21-9-3-10-22-37)38-23-11-4-12-24-38)50-45-30-36-20-14-26-40(28-36)53-32-34-17-7-2-8-18-34/h1-30H,31-32H2,(H2,46,47,48,49,50)/b44-29-,45-30-
InChIKeyHYRNWYYSOKLOSB-QSFOISPVSA-N
XLogP9.39
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.82
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
2,3,5,6-tetrafluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 4643919
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 950938
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
1-methyl-3-[(E)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7728948
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
6-methyl-5-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 2789664
2-[(Z)-[[4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136898159

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine (CID 6313295) is 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is C(=N\Nc1nc(N/N=C\c2cccc(OCc3ccccc3)c2)nc(N(c2ccccc2)c2ccccc2)n1)\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HYRNWYYSOKLOSB-QSFOISPVSA-N. The full InChI is InChI=1S/C43H36N8O2/c1-5-15-33(16-6-1)31-52-39-25-13-19-35(27-39)29-44-49-41-46-42(48-43(47-41)51(37-21-9-3-10-22-37)38-23-11-4-12-24-38)50-45-30-36-20-14-26-40(28-36)53-32-34-17-7-2-8-18-34/h1-30H,31-32H2,(H2,46,47,48,49,50)/b44-29-,45-30-.
What are the key properties of 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 696.82 g/mol, XLogP of 9.39, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 6313295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).